Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100995

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cccnc32)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR6 P46095 1/20 0.43
ROCK2 O75116 1/20 0.41
PPARG P37231 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.39
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1099159 0.95 DGAT1 (0.47) DGAT1HSD17B10KDM4ELMNAMAPK1
Trifluoroacetic Acid SCHEMBL1101495 0.93 FASN (0.42) DGAT1LMNAHTTMAPT
Trifluoroacetic Acid SCHEMBL1100882 0.91 ROCK2 (0.40) DGAT1HSD17B10KDM4ELMNAMAPK1
Trifluoroacetic Acid SCHEMBL1101032 0.90 DGAT1 (0.45) DGAT1MAPK1MAPTKMT2ACYP3A4
Trifluoroacetic Acid SCHEMBL1099225 0.90 KDM4E (0.49) DGAT1HSD17B10KDM4ELMNAMAPK1
SCHEMBL1100754 0.90 PPARG (0.41) DGAT1KDM4EMAPK1PPARGMAPT
Trifluoroacetic Acid SCHEMBL1099895 0.89 MAPT (0.44) DGAT1HSD17B10KDM4ELMNAMAPK1
SCHEMBL1100061 0.87 FASN (0.45) DGAT1LMNAHTTSMN1; SMN2MAPT
SCHEMBL1101063 0.87 ROCK2 (0.47) DGAT1HSD17B10KDM4ELMNAMAPK1
SCHEMBL1100170 0.87 KDM4E (0.51) DGAT1HSD17B10KDM4ELMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885HSD17B10 3313/4885KDM4E 804/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885HSD17B10 3313/4885KDM4E 804/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885HSD17B10 3313/4885KDM4E 804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.